N-[[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]sulfamoyl]propan-1-amine

C18H31N3O4S — CID 110622738

IUPACN-[[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]sulfamoyl]propan-1-amine
SMILESCCCNS(=O)(=O)NCC(c1ccc(OC)c(OC)c1)N1CCCCC1
InChIInChI=1S/C18H31N3O4S/c1-4-10-19-26(22,23)20-14-16(21-11-6-5-7-12-21)15-8-9-17(24-2)18(13-15)25-3/h8-9,13,16,19-20H,4-7,10-12,14H2,1-3H3
InChIKeyOXVCKVUGFUCKJC-UHFFFAOYSA-N
MW385.53 g/mol
LogP2.06
Rot. Bonds10

About N-[[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]sulfamoyl]propan-1-amine

N-[[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]sulfamoyl]propan-1-amine (PubChem CID 110622738) has the molecular formula C18H31N3O4S and a molecular weight of 385.53 g/mol. Its IUPAC name is N-[[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]sulfamoyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]sulfamoyl]propan-1-amine
PubChem CID110622738
Molecular FormulaC18H31N3O4S
Molecular Weight385.53 g/mol
Exact Mass385.20
IUPAC NameN-[[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]sulfamoyl]propan-1-amine
SMILESCCCNS(=O)(=O)NCC(c1ccc(OC)c(OC)c1)N1CCCCC1
InChIInChI=1S/C18H31N3O4S/c1-4-10-19-26(22,23)20-14-16(21-11-6-5-7-12-21)15-8-9-17(24-2)18(13-15)25-3/h8-9,13,16,19-20H,4-7,10-12,14H2,1-3H3
InChIKeyOXVCKVUGFUCKJC-UHFFFAOYSA-N
XLogP2.06
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-(ethylsulfamoyl)-2-pyrrolidin-1-ylethanamine
CID 110622752
N-[[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]sulfamoyl]propan-1-amine
CID 110620754
1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperidine
CID 92967700
N-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]heptan-1-amine
CID 110826980
(2R)-2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 9161144
N-[[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]sulfamoyl]propan-1-amine
CID 110621685
N-[2-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methylbutanamide
CID 112505175
3,4-dimethoxy-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 40828884
N-[(4-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine
CID 110826529
2,5-dimethoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 55352494
N-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-3-methylbenzamide
CID 112505140
N'-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-1-naphthalen-1-ylmethanediamine
CID 110827295

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]sulfamoyl]propan-1-amine?
The IUPAC name of N-[[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]sulfamoyl]propan-1-amine (CID 110622738) is N-[[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]sulfamoyl]propan-1-amine.
What is the SMILES notation for N-[[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]sulfamoyl]propan-1-amine?
The canonical SMILES for N-[[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]sulfamoyl]propan-1-amine is CCCNS(=O)(=O)NCC(c1ccc(OC)c(OC)c1)N1CCCCC1.
What is the InChIKey of N-[[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]sulfamoyl]propan-1-amine?
The InChIKey is OXVCKVUGFUCKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O4S/c1-4-10-19-26(22,23)20-14-16(21-11-6-5-7-12-21)15-8-9-17(24-2)18(13-15)25-3/h8-9,13,16,19-20H,4-7,10-12,14H2,1-3H3.
What are the key properties of N-[[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]sulfamoyl]propan-1-amine?
N-[[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]sulfamoyl]propan-1-amine has a molecular weight of 385.53 g/mol, XLogP of 2.06, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]sulfamoyl]propan-1-amine is sourced from PubChem (CID 110622738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).